4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline

C28H30N4O4 — CID 155805514

IUPAC4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline
SMILESCOc1ccc(N2CCN(c3nc(-c4cc(OC)c(OC)c(OC)c4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C28H30N4O4/c1-33-21-11-9-20(10-12-21)31-13-15-32(16-14-31)28-22-7-5-6-8-23(22)29-27(30-28)19-17-24(34-2)26(36-4)25(18-19)35-3/h5-12,17-18H,13-16H2,1-4H3
InChIKeyRDHTYPFTJAEIQS-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.66
Rot. Bonds7

About 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline

4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline (PubChem CID 155805514) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline
PubChem CID155805514
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline
SMILESCOc1ccc(N2CCN(c3nc(-c4cc(OC)c(OC)c(OC)c4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C28H30N4O4/c1-33-21-11-9-20(10-12-21)31-13-15-32(16-14-31)28-22-7-5-6-8-23(22)29-27(30-28)19-17-24(34-2)26(36-4)25(18-19)35-3/h5-12,17-18H,13-16H2,1-4H3
InChIKeyRDHTYPFTJAEIQS-UHFFFAOYSA-N
XLogP4.66
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline (CID 155805514) is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline is COc1ccc(N2CCN(c3nc(-c4cc(OC)c(OC)c(OC)c4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline?
The InChIKey is RDHTYPFTJAEIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-33-21-11-9-20(10-12-21)31-13-15-32(16-14-31)28-22-7-5-6-8-23(22)29-27(30-28)19-17-24(34-2)26(36-4)25(18-19)35-3/h5-12,17-18H,13-16H2,1-4H3.
What are the key properties of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline?
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline has a molecular weight of 486.57 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline is sourced from PubChem (CID 155805514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).